4-[(E)-2-cyano-3-[(3,4-dimethoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-nitro-phenolate

Systemtic Name: 4-[(E)-2-cyano-3-[(3,4-dimethoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-nitro-phenolate Openeye Name: 4-[(E)-2-cyano-3-(3,4-dimethoxyanilino)-3-oxo-prop-1-enyl]-2-nitro-phenolate CAS Name: 4-[(E)-2-cyano-3-(3,4-dimethoxyanilino)-3-oxoprop-1-enyl]-2-nitrophenolate IUPAC Name: 4-[(E)-2-cyano-3-(3,4-dimethoxyanilino)-3-oxoprop-1-enyl]-2-nitrophenolate Traditional Name: 4-[(E)-2-cyano-3-(3,4-dimethoxyanilino)-3-keto-prop-1-enyl]-2-nitro-phenolate Formula: C18H14N3O6- MolecularWeight: 368.32026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C(=CC2=CC(=C(C=C2)[O-])[N+](=O)[O-])C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)/C(=C/C2=CC(=C(C=C2)[O-])[N+](=O)[O-])/C#N)OC

InChI

InChI=1S/C18H15N3O6/c1-26-16-6-4-13(9-17(16)27-2)20-18(23)12(10-19)7-11-3-5-15(22)14(8-11)21(24)25/h3-9,22H,1-2H3,(H,20,23)/p-1/b12-7+